1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone

C14H7Cl2F3O — CID 115816050

IUPAC1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1F)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H7Cl2F3O/c15-8-2-1-7(11(17)4-8)3-14(20)9-5-13(19)10(16)6-12(9)18/h1-2,4-6H,3H2
InChIKeyGZNYPCHTMOIAHR-UHFFFAOYSA-N
MW319.11 g/mol
LogP4.84
Rot. Bonds3

About 1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone

1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone (PubChem CID 115816050) has the molecular formula C14H7Cl2F3O and a molecular weight of 319.11 g/mol. Its IUPAC name is 1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
PubChem CID115816050
Molecular FormulaC14H7Cl2F3O
Molecular Weight319.11 g/mol
Exact Mass317.98
IUPAC Name1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1F)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H7Cl2F3O/c15-8-2-1-7(11(17)4-8)3-14(20)9-5-13(19)10(16)6-12(9)18/h1-2,4-6H,3H2
InChIKeyGZNYPCHTMOIAHR-UHFFFAOYSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.11
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)ethanone
CID 63081571
2-(4-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 115815728
2-(4-chloro-2-fluorophenyl)-1-(4-chlorophenyl)ethanone
CID 114853604
1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655306
1-(2-bromo-3,4-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 107538110
2-(4-bromophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanone
CID 82771447
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
2-(2,4-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 62802262
3-amino-1-(4-chloro-2,5-difluorophenyl)propan-1-one
CID 84787105
1-(5-chloro-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865288
2-(4-chlorophenyl)-1-(2,4,5-trifluorophenyl)ethanone
CID 103301488
1-(4-chloro-2,5-difluorophenyl)but-3-yn-1-one
CID 114962072

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone?
The IUPAC name of 1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone (CID 115816050) is 1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone?
The canonical SMILES for 1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone is O=C(Cc1ccc(Cl)cc1F)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone?
The InChIKey is GZNYPCHTMOIAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3O/c15-8-2-1-7(11(17)4-8)3-14(20)9-5-13(19)10(16)6-12(9)18/h1-2,4-6H,3H2.
What are the key properties of 1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone?
1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone has a molecular weight of 319.11 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanone is sourced from PubChem (CID 115816050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).